(2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

C26H27N3O5S — CID 92742527

IUPAC(2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCOc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-26(25(31)27-17-20-11-5-3-6-12-20)19-28(35(32,33)21-13-7-4-8-14-21)18-24(30)29(26)22-15-9-10-16-23(22)34-2/h3-16H,17-19H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyUJNAPJNOVMSJGR-AREMUKBSSA-N
MW493.59 g/mol
LogP2.81
Rot. Bonds7

About (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide

(2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide (PubChem CID 92742527) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
PubChem CID92742527
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name(2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide
SMILESCOc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C26H27N3O5S/c1-26(25(31)27-17-20-11-5-3-6-12-20)19-28(35(32,33)21-13-7-4-8-14-21)18-24(30)29(26)22-15-9-10-16-23(22)34-2/h3-16H,17-19H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyUJNAPJNOVMSJGR-AREMUKBSSA-N
XLogP2.81
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(benzenesulfonyl)-1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide
CID 92742500
(2R)-N-benzyl-1-(2-ethylphenyl)-4-ethylsulfonyl-2-methyl-6-oxopiperazine-2-carboxamide
CID 92722258
(2S)-4-(benzenesulfonyl)-1-(2-methoxy-5-methylphenyl)-2-methyl-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide
CID 92742498
(2S)-N-benzyl-1-(3,5-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92722295
(2S)-N-benzyl-4-ethylsulfonyl-1-[(2-methoxyphenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide
CID 92722268
(2R)-4-(benzenesulfonyl)-2-methyl-1-(3-methylbutyl)-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide
CID 92742555
(2R)-1-(2,4-dimethoxyphenyl)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92722476
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46275829
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylphenyl)-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92722431
(2R)-N-benzyl-1-(4-fluoro-2-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92722334
(2R)-N-benzyl-2-methyl-1-[(5-methylfuran-2-yl)methyl]-4-(4-methylphenyl)sulfonyl-6-oxopiperazine-2-carboxamide
CID 92722211
N-benzyl-2-methyl-1-(4-methylphenyl)-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909510

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide (CID 92742527) is (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide is COc1ccccc1N1C(=O)CN(S(=O)(=O)c2ccccc2)C[C@]1(C)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
The InChIKey is UJNAPJNOVMSJGR-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-26(25(31)27-17-20-11-5-3-6-12-20)19-28(35(32,33)21-13-7-4-8-14-21)18-24(30)29(26)22-15-9-10-16-23(22)34-2/h3-16H,17-19H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide?
(2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(benzenesulfonyl)-N-benzyl-1-(2-methoxyphenyl)-2-methyl-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 92742527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).